2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline

C10H12FN3O — CID 125451282

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline
SMILESNc1cc(F)ccc1OCC1=NCCN1
InChIInChI=1S/C10H12FN3O/c11-7-1-2-9(8(12)5-7)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6,12H2,(H,13,14)
InChIKeyBKWDLPIRCGACIH-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.79
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline

2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline (PubChem CID 125451282) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline
PubChem CID125451282
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline
SMILESNc1cc(F)ccc1OCC1=NCCN1
InChIInChI=1S/C10H12FN3O/c11-7-1-2-9(8(12)5-7)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6,12H2,(H,13,14)
InChIKeyBKWDLPIRCGACIH-UHFFFAOYSA-N
XLogP0.79
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline (CID 125451282) is 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline is Nc1cc(F)ccc1OCC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline?
The InChIKey is BKWDLPIRCGACIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-7-1-2-9(8(12)5-7)15-6-10-13-3-4-14-10/h1-2,5H,3-4,6,12H2,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline?
2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline has a molecular weight of 209.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluoroaniline is sourced from PubChem (CID 125451282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).